3-imino-N-methylbutanamide

C5H10N2O — CID 54543829

IUPAC3-imino-N-methylbutanamide
SMILES[H]/N=C(\C)CC(=O)NC
InChIInChI=1S/C5H10N2O/c1-4(6)3-5(8)7-2/h6H,3H2,1-2H3,(H,7,8)/b6-4+
InChIKeyZFDQNBIQNKCKAR-GQCTYLIASA-N
MW114.15 g/mol
LogP0.16
Rot. Bonds2

About 3-imino-N-methylbutanamide

3-imino-N-methylbutanamide (PubChem CID 54543829) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-imino-N-methylbutanamide.

Molecular Properties

Compound Name3-imino-N-methylbutanamide
PubChem CID54543829
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-imino-N-methylbutanamide
SMILES[H]/N=C(\C)CC(=O)NC
InChIInChI=1S/C5H10N2O/c1-4(6)3-5(8)7-2/h6H,3H2,1-2H3,(H,7,8)/b6-4+
InChIKeyZFDQNBIQNKCKAR-GQCTYLIASA-N
XLogP0.16
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methylbutanamide?
The IUPAC name of 3-imino-N-methylbutanamide (CID 54543829) is 3-imino-N-methylbutanamide.
What is the SMILES notation for 3-imino-N-methylbutanamide?
The canonical SMILES for 3-imino-N-methylbutanamide is [H]/N=C(\C)CC(=O)NC.
What is the InChIKey of 3-imino-N-methylbutanamide?
The InChIKey is ZFDQNBIQNKCKAR-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(6)3-5(8)7-2/h6H,3H2,1-2H3,(H,7,8)/b6-4+.
What are the key properties of 3-imino-N-methylbutanamide?
3-imino-N-methylbutanamide has a molecular weight of 114.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methylbutanamide is sourced from PubChem (CID 54543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).